N-prop-2-enylpent-4-en-1-amine

C8H15N — CID 10953500

IUPACN-prop-2-enylpent-4-en-1-amine
SMILESC=CCCCNCC=C
InChIInChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h3-4,9H,1-2,5-8H2
InChIKeyDAUGQRNUFWNXRI-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.73
Rot. Bonds6

About N-prop-2-enylpent-4-en-1-amine

N-prop-2-enylpent-4-en-1-amine (PubChem CID 10953500) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-prop-2-enylpent-4-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enylpent-4-en-1-amine
PubChem CID10953500
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-prop-2-enylpent-4-en-1-amine
SMILESC=CCCCNCC=C
InChIInChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h3-4,9H,1-2,5-8H2
InChIKeyDAUGQRNUFWNXRI-UHFFFAOYSA-N
XLogP1.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylpent-4-en-1-amine?
The IUPAC name of N-prop-2-enylpent-4-en-1-amine (CID 10953500) is N-prop-2-enylpent-4-en-1-amine.
What is the SMILES notation for N-prop-2-enylpent-4-en-1-amine?
The canonical SMILES for N-prop-2-enylpent-4-en-1-amine is C=CCCCNCC=C.
What is the InChIKey of N-prop-2-enylpent-4-en-1-amine?
The InChIKey is DAUGQRNUFWNXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-3-5-6-8-9-7-4-2/h3-4,9H,1-2,5-8H2.
What are the key properties of N-prop-2-enylpent-4-en-1-amine?
N-prop-2-enylpent-4-en-1-amine has a molecular weight of 125.21 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylpent-4-en-1-amine is sourced from PubChem (CID 10953500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).